3U41
Crystal structure of Escherichia coli DmsD in space group P212121
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-26 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.105 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.275, 96.221, 210.243 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.600 - 2.500 |
R-factor | 0.23189 |
Rwork | 0.230 |
R-free | 0.27068 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3EFP(a) |
RMSD bond length | 0.005 |
RMSD bond angle | 0.903 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.200 |
High resolution limit [Å] | 2.120 | 4.570 | 2.120 |
Rmerge | 0.109 | 0.069 | 0.981 |
Number of reflections | 63206 | ||
<I/σ(I)> | 12.4 | ||
Completeness [%] | 98.4 | 99.6 | 94.4 |
Redundancy | 8.6 | 10.5 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 1.25M Ammonium Sulfate, 11% (v/v) Glycerol, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |